(5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine

C12H20FN — CID 143782139

IUPAC(5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C/C=C(/F)C(=C)C(C)CCN(C)C
InChIInChI=1S/C12H20FN/c1-6-7-12(13)11(3)10(2)8-9-14(4)5/h6-7,10H,1,3,8-9H2,2,4-5H3/b12-7+
InChIKeyLKPZRHQNHPMKJO-KPKJPENVSA-N
MW197.30 g/mol
LogP3.17
Rot. Bonds6

About (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine

(5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine (PubChem CID 143782139) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
PubChem CID143782139
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C/C=C(/F)C(=C)C(C)CCN(C)C
InChIInChI=1S/C12H20FN/c1-6-7-12(13)11(3)10(2)8-9-14(4)5/h6-7,10H,1,3,8-9H2,2,4-5H3/b12-7+
InChIKeyLKPZRHQNHPMKJO-KPKJPENVSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657126
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
CID 126490053
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine
CID 129295738

Frequently Asked Questions

What is the IUPAC name of (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The IUPAC name of (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine (CID 143782139) is (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine.
What is the SMILES notation for (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The canonical SMILES for (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine is C=C/C=C(/F)C(=C)C(C)CCN(C)C.
What is the InChIKey of (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The InChIKey is LKPZRHQNHPMKJO-KPKJPENVSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-7-12(13)11(3)10(2)8-9-14(4)5/h6-7,10H,1,3,8-9H2,2,4-5H3/b12-7+.
What are the key properties of (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
(5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 143782139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).